task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(=O)C1=C([O-])C(=O)N(CCC2=c3ccccc3=[NH+][C@H]2C)[C@H]1c1ccccc1F
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)N[C@@](C)(C#N)C2CC2)C1=O
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(cc(F)ccc1)N1C(=O)C[C@@H](C(N2C[C@@H](C(=O)OCC)CCC2)=O)C1
### Response:
CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1n[nH]c(C)c1NC(=O)NC1(c2ccc(F)cc2F)CCOCC1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C(=O)N(C)Cc2ccco2)sc1Br
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[7*]
Fragment 2: [5*]Nc1cc(C)nc2c(C)cc(C)cc12
### Response:
COc1ccc(/C=C/C(=O)Nc2cc(C)nc3c(C)cc(C)cc23)cc1OC |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]12[C@@H]3CC[C@@H](O3)[C@H]2C(N(CCC(N(CC2CC2)C2CCCCC2)=O)C1=O)=O
### Response:
O=C1[C@@H]2[C@H](C(=O)N1CCC(=O)N(CC1CC1)C1CCCCC1)[C@H]1CC[C@@H]2O1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(-n2ccnc2C[NH+]2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)cc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(COC2CCN(CC2)C([C@@H](CC)c2c(onc2C)C)=O)c(C)cccc1
### Response:
CC[C@H](C(=O)N1CCC(OCc2ccccc2C)CC1)c1c(C)noc1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(COc1ncnc2ccc(Br)cc12)Nc1ccccc1Cl
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
CC(C)OCCOC(=O)Nc1cccc(N)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Cn1ccc(C(F)(F)F)n1)NCCC1CCCCC1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(c1ccc2CCCCc2c1)(N[C@H](c1c(C)n(nc1C)C)CC)=O
### Response:
CC[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1c(C)nn(C)c1C |
functional_group | ### Instruction:
Does the molecule contain a amine group?
Cc1cc(NC(=O)CSCC(=O)O[C@H]2C[C@@H](C)CC(C)(C)C2)no1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CSc1cc(C(=O)NC[C@](C)(O)c2ccsc2)ccn1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(CC)C(c1cccc(c1)CNC(=O)c1cc(n[nH]1)-c1sccc1)=O
### Response:
CCNC(=O)c1cccc(CNC(=O)c2cc(-c3cccs3)n[nH]2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]Cc1cc(C)n([9*])c1C
Fragment 2: [7*]C1C(=N)N2N=C(C3CCCCC3)SC2=NC1=O
### Response:
COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCc2sccc2[C@H]1CC
Fragment 2: [4*]C[C@H]1CN2CCCC[C@@H]2CO1
### Response:
CC[C@@H]1c2ccsc2CCN1C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(=O)C1=C(O)C(=O)N([10*])[C@H]1[13*]
Fragment 2: [6*]C(=O)C1=C(O)C(=O)N(C[8*])[C@H]1[13*]
### Response:
CN(C)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc([C@H]2NC(=O)CC(=C)C2)ccc1
### Response:
C=C1CC(=O)N[C@H](c2ccccc2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CN(C(=O)CC)CCN(C1)C(Cc1noc2ccccc21)=O
### Response:
CCC(=O)N1CCCN(C(=O)Cc2noc3ccccc23)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCC([15*])CC1
Fragment 2: [6*]C(N)=O
### Response:
CC(C)[NH+](CC(N)=O)CC(=O)N1CCC(C(N)=O)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)(C)SC[C@@H](O)C[C@@H]1CCCN(S(C)(=O)=O)C1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CC[C@@H](OC(=O)c1cnc2c(C)cccn2c1=O)c1cccc(OC)c1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(OCC(NNC(=O)c2ccnc(c2)C(C)(C)C)=O)ccc1
### Response:
CC(C)(C)c1cc(C(=O)NNC(=O)COc2ccccc2)ccn1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1Cl)c1ccco1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@H]([NH2+][C@H](CC)c1cccs1)c1c(C)noc1C
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1ccc(OC(=O)c2cnc([C@@H]3CCCO3)s2)cc1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)[NH+]1C[C@H](N[C@@H]2CCN(c3c(F)cccc3F)C2)[C@@H](C)C1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(F)cc1
Fragment 2: [7*]Cc1cc(C)n([9*])c1C
### Response:
CCc1ccccc1-n1c(C)cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cccc1C(N1CC[C@H](C1)COCC)=O)-c1nc(sc1)C
### Response:
CCOC[C@@H]1CCN(C(=O)c2cccc(-c3csc(C)n3)c2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1noc(CNc2ccc(C(=O)N3CCCC3)cc2)n1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1CN(C(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)C[C@H](C)S1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@@H]1CC[NH+]([5*])C1
Fragment 2: [4*]Cc1ccccc1
### Response:
COc1ccc(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1S(=O)(=O)N1CCOCC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@@]([8*])(C)COC
Fragment 2: [16*]c1ccccc1F
### Response:
COC[C@](C)(NC(=O)NCCc1ccccc1F)c1ccccc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CSc1cccc(NC(=O)NCc2ccc(C)cc2)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CC(C)(C)C1CCC2(CC1)[C@H](C#N)C(SC/C(O)=N/c1ccccc1)=NC(=O)[C@@H]2C#N
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
CCC(O)(CC)CNC(=O)c1cccc(SCC#N)c1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Clc1cc(C(Nc2cc(Br)c(C)cc2)=O)ccn1
### Response:
Cc1ccc(NC(=O)c2ccnc(Cl)c2)cc1Br |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CNC(=O)C[C@H](C)C(=O)c1cccc(F)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(n1c2c(c(CC)nn2C)nc1CCl)[C@@H]1C[NH+](C)CC1
### Response:
CCc1nn(C)c2c1nc(CCl)n2C[C@H]1CC[NH+](C)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccncc1
Fragment 2: [1*]C(=O)c1cc(OC)ccc1Br
### Response:
COc1ccc(Br)c(C(=O)N[C@H](C)c2ccncc2)c1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[C@@H]1CO[C@@H](C)CN1C/C=C/c1ccccc1[N+](=O)[O-]
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(NC(=O)C(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1nc(C)n(C[C@@H](O)COc2ccc(C(C)(C)C)cc2)n1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCO[C@@H]1C[C@H]([O-])C12CCN(C(=O)c1cn(C)nc1C)CC2
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
Cc1nc(C2(NC(=O)c3ccccc3OC(F)F)CCCC2)no1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@@H]([4*])C[8*]
Fragment 2: [4*]Cc1ccsc1
### Response:
C[NH+](C)[C@H](CNC(=O)NCc1ccsc1)Cc1ccccc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@@H]1CCCO1
Fragment 2: [5*]Nc1ncccc1Cl
### Response:
Clc1cccnc1NC[C@@H]1CCCO1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(OC)cc1[16*]
Fragment 2: [5*]Nc1ccnn1[9*]
### Response:
COc1ccc(C(C)=O)c(OCC(=O)Nc2ccnn2C2CCCC2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nn(-c2ccccc2)nc1C(=O)N1CCC[C@H]1Cn1cccn1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1nc2c(C)cccn2c(=O)c1Cc1nnc(SCC(=O)NC(C)C)n1C
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CCO
Fragment 2: [9*]n1c(N/N=C/c2ccc(Br)cc2O)nc2c1c(=O)n(C)c(=O)n2C
### Response:
Cn1c(=O)c2c(nc(N/N=C/c3ccc(Br)cc3O)n2CCO)n(C)c1=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H](c1ccc2c(OCCO2)c1)(CC)NC(N1CC[NH+](CCC1)C(C)C)=O
### Response:
CC[C@H](NC(=O)N1CCC[NH+](C(C)C)CC1)c1ccc2c(c1)OCCO2 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCCN1CCO[C@H](c2nc(CC(=O)[O-])cs2)C1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COc1ccc2cc([C@@H]([NH3+])CO)ccc2c1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12OCOc2ccc(c1)Nc1n2cccnc2nc1-c1ccc(OC)cc1
### Response:
COc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCO3)cc1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
Cc1nn(C)cc1CNC(=O)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@@H]1CC(=O)N([10*])C1
Fragment 2: [5*]NS(=O)(=O)c1ccc(OC)c(OC)c1
### Response:
COc1ccc(S(=O)(=O)NC[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1OC |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1CC1
Fragment 2: [5*][NH2+][C@H]1CC(=O)N([10*])C1
### Response:
COc1ccc2cc([C@H](C)[NH2+][C@H]3CC(=O)N(C4CC4)C3)ccc2c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)Cc1ccc(CN2C[C@H](c3ccccc3)OCC2(C)C)s1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(cc1)-n1c(nnc1-c1ccccc1)SCC(NNC(c1sccc1)=O)=O
### Response:
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NNC(=O)c1cccs1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(C(=O)O[C@@H](C)[C@@H]2CCCO2)cc1OC(F)F
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@@H]([8*])C(N)=S
Fragment 2: [15*]C1CCCCC1
### Response:
CCc1ccc(C(=O)N[C@H](C(N)=S)C2CCCCC2)o1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CCC(CC)(C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1)c1ccccc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccccc1-c1cc(C(=O)Nc2cc(C)nn2-c2ccccc2)no1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(OCCCOc1c(C[NH3+])cccc1)(C)(C)C
### Response:
CC(C)(C)OCCCOc1ccccc1C[NH3+] |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCc1cc(=O)n2cc(C)ccc2n1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCc1ccc(-c2csc(NC(=O)[C@H]3CCC(=O)NC3)n2)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1c[nH]c2ccccc12
Fragment 2: [1*]C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2
### Response:
C[C@H]1Sc2ccc(C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)cc2NC1=O |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1cccc(-c2cc(C(F)F)c3c(C4CC4)nn(C)c3n2)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [12*]S(=O)(=O)c1ccc(Cl)cc1
Fragment 2: [1*]C(=O)[C@H](C)O[3*]
### Response:
C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)N1CCc2ccccc21 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(CC[C@H]([NH3+])c1cc(F)cc(F)c1)Cc1[nH+]ccn1C
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCOC
Fragment 2: [5*]N1CCn2c(nc3cc([N+](=O)[O-])ccc32)C1
### Response:
COCCN1CCn2c(nc3cc([N+](=O)[O-])ccc32)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C)N([C@@H](COC)C)c1cncc(n1)C[NH3+]
### Response:
CCN(c1cncc(C[NH3+])n1)[C@H](C)COC |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCCC1
Fragment 2: [1*]C(=O)c1ccc(S([12*])(=O)=O)cc1
### Response:
O=C(N[C@H]1CCOC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COc1ccc(-c2noc(CN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)C3CCCCC3)n2)cc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NNC(=O)c1ccc(Cl)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)N1CCN([5*])CC1
Fragment 2: [5*]N(C)C
### Response:
CC[C@@H](C)NC(=O)CN1CCN(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C)c(C(N)=O)c(N[C@H]2C=C[C@H](C(=O)[O-])C2)[nH+]1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1cccc([C@H](O)C(C)(C)N2CCOCC2)c1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN1C[C@]2(CCCN(S(=O)(=O)c3cc(F)c(F)cc3F)CC2)OC1=O
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=[N+]([O-])c1ccc(NCC[NH2+]Cc2c(Cl)cccc2Cl)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1C#N
Fragment 2: [5*]N1C(N)=C(C#N)[C@H]([15*])C2=C1CCCC2=O
### Response:
N#CC1=C(N)N(c2ccccc2C#N)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
NNC(=O)c1cccc(-c2nc3ccccc3s2)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(NNC(=O)N[C@@H]1CCSc2ccc(F)cc21)Nc1ccccc1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
NC(=O)NCc1ccc(NC(=O)c2ccc(OC3CCCC3)cc2)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COc1nc(C(=O)N(CCC(F)(F)F)C2CCCC2)cc2ccccc12
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](NC(=O)c1nccnc1C(N)=O)c1ccc(C(C)(C)C)cc1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCCCN1C(=O)COc2ccccc21
Fragment 2: [1*]C(=O)C#Cc1ccccc1
### Response:
O=C(C#Cc1ccccc1)NCCCN1C(=O)COc2ccccc21 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1ccc(Cl)s1
Fragment 2: [8*][C@H]([NH3+])[C@H](C)CC
### Response:
CC[C@@H](C)[C@@H]([NH3+])c1ccc(Cl)s1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
Cc1ccccc1SCc1nnnn1-c1ccccc1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*][C@]1([NH3+])CC[C@@H]1C
Fragment 2: [16*]c1ccc(C)cc1
### Response:
Cc1ccc([C@]2([NH3+])CC[C@@H]2C)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1/C=C/C(OCC(=O)Nc1c(cc(Cl)cc1Cl)Cl)=O)C(N)=O
### Response:
NC(=O)c1ccc(/C=C/C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C=CCNC(=O)Nc1ccc(F)c(NC(=O)OC)c1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=S(=O)(Cc1nc(-c2cccs2)no1)c1ccc2ccccc2n1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCCC[C@@H]1[13*]
Fragment 2: [3*]OCC
### Response:
CCOC(=O)C[C@H]1CCCCN1Cc1nc2ccccc2nc1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1oc2c(C)c3oc(=O)c(CCC(=O)N[C@H](Cc4ccc(Cl)cc4)C(=O)[O-])c(C)c3cc2c1C
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N([5*])c1ccc(F)cc1
Fragment 2: [4*]Cc1nnsc1Cl
### Response:
CC(C)N(Cc1nnsc1Cl)c1ccc(F)cc1 |
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